(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C22H28N4O3 — CID 7445342

IUPAC(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(C)CC4)nc3C2)c(OC)c1
InChIInChI=1S/C22H28N4O3/c1-14-21-18(24-22(23-14)26-9-7-25(2)8-10-26)11-15(12-19(21)27)17-6-5-16(28-3)13-20(17)29-4/h5-6,13,15H,7-12H2,1-4H3/t15-/m0/s1
InChIKeyNELPOGLABPWWAO-HNNXBMFYSA-N
MW396.49 g/mol
LogP2.47
Rot. Bonds4

About (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7445342) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7445342
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(C)CC4)nc3C2)c(OC)c1
InChIInChI=1S/C22H28N4O3/c1-14-21-18(24-22(23-14)26-9-7-25(2)8-10-26)11-15(12-19(21)27)17-6-5-16(28-3)13-20(17)29-4/h5-6,13,15H,7-12H2,1-4H3/t15-/m0/s1
InChIKeyNELPOGLABPWWAO-HNNXBMFYSA-N
XLogP2.47
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629541
(7R)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 27892857
(7S)-7-(2,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40900113
(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101048
(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41455625
7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584968
(7S)-7-(2-fluorophenyl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29109563
(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7445350
4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 7601708
1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
CID 25249544
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
5-(2,4-dimethoxyphenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione
CID 146459311

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 7445342) is (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(C)CC4)nc3C2)c(OC)c1.
What is the InChIKey of (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NELPOGLABPWWAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-21-18(24-22(23-14)26-9-7-25(2)8-10-26)11-15(12-19(21)27)17-6-5-16(28-3)13-20(17)29-4/h5-6,13,15H,7-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 396.49 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7445342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).